5IOS
Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.071, 116.217, 141.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 89.680 - 1.900 |
| R-factor | 0.17962 |
| Rwork | 0.178 |
| R-free | 0.21062 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gt9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.483 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 89.680 |
| High resolution limit [Å] | 1.900 |
| Number of reflections | 70476 |
| <I/σ(I)> | 22.9 |
| Completeness [%] | 99.5 |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293.15 | 40-50% PEG 200, 0-150 mM NaCl, 100 mM Tris-HCl pH 8.0 |
